• Journal of the Korean Graphic Arts Communication Society
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• v.13 no.1
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• pp.1-12
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• 1995

Polymeric mesogens having a regularly alternating rigid-flexible repeating structure in the main-chain polymer exhibit distinct even-odd oscillation in their thermodynamic quantities with respect to the number of methylene units in the spacer. The even-odd oscillation depends on the number of methylene groups in the spacer the entropy change at the NI(nematic-isotropic) phase transition becomes less distinct when the linking group is replaced by the carbonate. In our previous work, we have suggested that the characteristics arise from the geometrical arrangement of the linkage. In this work, we have prepared a series of carbonate-type monomer and dimer liquid crystals. The thermodynamic behaviors at the NI phase transition have been compared with those previous reported for the ether- or ester-type liquid crystals. For the dimer series, the orientational order parameter of the mesogenic core was determined by using H-NMR technique. The origin of the difference observed among linking groups was found to the geometrical characteristics of chemical structure.

• Journal of The Korean Astronomical Society
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• v.49 no.1
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• pp.1-8
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• 2016

The aim of this study is to describe the physical processes taking place in the solar photosphere. Based on 3D hydrodynamic simulations including a detailed radiation transfer scheme, we investigate thermodynamic structures and radiation fields in solar surface convection. As a starting model, the initial stratification in the outer envelope calculated using the solar calibrations in the context of the standard stellar theory. When the numerical fluid becomes thermally relaxed, the thermodynamic structure of the steady-state turbulent flow was explicitly collected. Particularly, a non-grey radiative transfer incorporating the opacity distribution function was considered in our calculations. In addition, we evaluate the classical approximations that are usually adopted in the onedimensional stellar structure models. We numerically reconfirm that radiation fields are well represented by the asymptotic characteristics of the Eddington approximation (the diffusion limit and the streaming limit). However, this classical approximation underestimates radiation energy in the shallow layers near the surface, which implies that a reliable treatment of the non-grey line opacities is crucial for the accurate description of the photospheric convection phenomenon.

• Journal of the Korean Chemical Society
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• v.16 no.5
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• pp.265-270
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• 1972

The aqueous solutions of aliphatic and aromatic hydrocarbons have been studied on the basis of the significant structure theory of liquid water proposed by Jhon, et al. The thermodynamic properties such as Helmholtz free energy, internal energy entropy, and heat capacity have been calculated. The results show good agreements with the experiments in the literature.

• Proceedings of the Korean Magnestics Society Conference
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• 2012.11a
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• pp.130-131
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• 2012

In this study, the thermodynamic and magnetic properties of alloying element substituted B2 FeAl systems have been investigated using the all-electron FLAPW method based on the GGA. It was shown that the important changes take place in the structural properties as well as in the magnetism when alloying element is substituted by Fe or Al site in B2 FeAl. Detailed discussion on the thermodynamic and magnetic properties and electronic structure of these intermetallic compounds will be given.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.237-249
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• 2014

Deposition of amyloid-${\beta}$ ($A{\beta}$) proteins is the conventional pathological hallmark of Alzheimer's disease (AD). The $A{\beta}$ protein formed from the amyloid precursor protein is predominated by the 40 residue protein ($A{\beta}40$) and by the 42 residue protein ($A{\beta}42$). While $A{\beta}40$ and $A{\beta}42$ differ in only two amino acid residues at the C-terminal end, $A{\beta}42$ is much more prone to aggregate and exhibits more neurotoxicity than $A{\beta}40$. Here, we investigate the molecular origin of the difference in the aggregation propensity of these two proteins by performing fully atomistic, explicit-water molecular dynamics simulations. Then, it is followed by the solvation thermodynamic analysis based on the integral-equation theory of liquids. We find that $A{\beta}42$ displays higher tendency to adopt ${\beta}$-sheet conformations than $A{\beta}40$, which would consequently facilitate the conversion to the ${\beta}$-sheet rich fibril structure. Furthermore, the solvation thermodynamic analysis on the simulated protein conformations indicates that $A{\beta}42$ is more hydrophobic than $A{\beta}40$, implying that the surrounding water imparts a larger thermodynamic driving force for the self-assembly of $A{\beta}42$. Taken together, our results provide structural and thermodynamic grounds on why $A{\beta}42$ is more aggregation-prone than $A{\beta}40$ in aqueous environments.

• Bulletin of the Korean Chemical Society
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• v.28 no.9
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• pp.1539-1544
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• 2007

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.

• Proceedings of the Membrane Society of Korea Conference
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• 1995.04a
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• pp.26-27
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• 1995

Most of synthetic polymeric membranes used in ultrafiltration, reverse osmosis and microfiltration processes are prepared by phase inversion(or phase separation) technique. In this technique, a homogeneous polymer solution is cast into thin film or hollow fiber shape and then immersed into a nonsolvent coagulant bath. The exchange of solvent and nonsolvent across the interface between casting solution and coagu!ant can make the casting solution phase-separate and form a membrane with a symmetric or asymmetric structure. Because of importance of this technique in membrane field, many investigations have been dedicated to elucidate the mechanism of membrane formation by phase inversion technique.[1-10] These investigation have suggested that the structure formation and permeation properties of phase inversion membrane depend on the variables such as the nature and content of casting solution and coagulant, temperature of casting solution and coagulant, and the diffusional exchange rate of solvent and nonsolvent etc. which can be related to the thermodynamic and kinetic properties of the casting system. The variables such as the nature and content of casting solution can also be the important factor affecting the structure formation and permeation property of the phase inversion membrane.

• Textile Coloration and Finishing
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• v.15 no.5
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• pp.316-320
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• 2003

In order to investigate the dyeing property of poly trimethylene terephthalate(PTT) fabric, the dyeing of PTT fabric was carried at under condition of different dyeing temperature by using several disperse dyes with different energy level. Particularly, this study discussed the PTT dyeing thermodynamically. Used disperse dyes were selected based on the their chemical structure and energy level. The obtained results were as followings; The dye adsorption of S type disperse dye such as C. I. Disperse Blue 79 increased with increasing dyeing temperature. In a exhaustion rate of PTT fabric with disperse dyes, C. I. Disperse Blue 56 showed higher values than that of C. I. Disperse Orange 29 and Blue 79. For the interpretation of thermodynamic dyeing behavior, the partition coefficient ( K ) and some several thermodynamic parameters such as standard affinity$(-\mu^\circ)$ and heat of dyeing$(\Delta{H}^\circ)$ calculated from the adsorption isotherm. From above results, as the energy level of disperse dye is small, the partition coefficient and standard affinity increased. But the heat of dyeing of PTT fabric with disperse dye showed high negative value in order of E type(C. I. Disperse Blue 56), SE type(C. I. Disperse Orange 29) and S type(C. I. Disperse 79).

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.947-955
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• 2011

The complexes [Pd(bpy)(Hex-dtc)]$NO_3$ and [Pt(bpy)(Hex-dtc)]$NO_3$ (bpy is 2,2'-bipyridine and Hex-dtc is hexyldithiocarbamato ligands) were synthesized and characterized by elemental analysis and spectroscopic studies. The cytotoxicity assay of the complexes has been performed on chronic myelogenous leukemia cell line, K562, at micromolar concentration. Both complexes showed cytotoxic activity far better than that of cisplatin under the same experimental conditions. The binding parameters of the complexes with calf thymus DNA (CT-DNA) was investigated using UV-visible and fluorescence techniques. They show the ability of cooperatively intercalating in CT-DNA. Gel filtration studies demonstrated that platinum complex could cleave the DNA. In the interaction studies between the Pd(II) and Pt(II) complexes with CT-DNA, several binding and thermodynamic parameters have been determined, which may provide deeper insights into the mechanism of action of these types of complexes with nucleic acids.

• Journal of Korean Society on Water Environment
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• v.23 no.2
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• pp.222-227
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• 2007

The adsorption features of fluoride ion on the oyster shell have been investigated for the purpose of the employment of waste oyster shell as an adsorbent for the treatment of fluoride ion-containing wastewater. The major component of oyster shell was examined to be Ca with minor components of Na, Si, Mg, Al, and Fe. As the initial concentration of fluoride ion was raised, its absorbed amount was enhanced at equilibrium, however, the adsorption ratio of fluoride ion compared with its initial concentration was shown to be decreased. Also, adsorption of fluoride ion onto the oyster shell resulted in the formation of $CaF_2$ in the morphological structure of adsorbent. Kinetic analysis showed that the adsorption reaction of fluoride ion generally followed a second order reaction with decreasing rate constant with the initial concentration of adsorbate. Freundlich model agreed well with the adsorption behavior of fluoride ion at equilibrium and the adsorption reaction of fluoride ion was examined to be endothermic. Several thermodynamic parameters for the adsorption reaction were calculated based on thermodynamic equations and the activation energy for the adsorption of fluoride ion onto oyster shell was estimated to be ca. 13.589 kJ/mole.